4-(2H-pyran-6-yloxy)butan-2-ol

C9H14O3 — CID 57029825

IUPAC4-(2H-pyran-6-yloxy)butan-2-ol
SMILESCC(O)CCOC1=CC=CCO1
InChIInChI=1S/C9H14O3/c1-8(10)5-7-12-9-4-2-3-6-11-9/h2-4,8,10H,5-7H2,1H3
InChIKeyLNHAHSTVHAHUNS-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.20
Rot. Bonds4

About 4-(2H-pyran-6-yloxy)butan-2-ol

4-(2H-pyran-6-yloxy)butan-2-ol (PubChem CID 57029825) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is 4-(2H-pyran-6-yloxy)butan-2-ol.

Molecular Properties

Compound Name4-(2H-pyran-6-yloxy)butan-2-ol
PubChem CID57029825
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name4-(2H-pyran-6-yloxy)butan-2-ol
SMILESCC(O)CCOC1=CC=CCO1
InChIInChI=1S/C9H14O3/c1-8(10)5-7-12-9-4-2-3-6-11-9/h2-4,8,10H,5-7H2,1H3
InChIKeyLNHAHSTVHAHUNS-UHFFFAOYSA-N
XLogP1.20
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2H-pyran-6-yloxy)butan-2-ol?
The IUPAC name of 4-(2H-pyran-6-yloxy)butan-2-ol (CID 57029825) is 4-(2H-pyran-6-yloxy)butan-2-ol.
What is the SMILES notation for 4-(2H-pyran-6-yloxy)butan-2-ol?
The canonical SMILES for 4-(2H-pyran-6-yloxy)butan-2-ol is CC(O)CCOC1=CC=CCO1.
What is the InChIKey of 4-(2H-pyran-6-yloxy)butan-2-ol?
The InChIKey is LNHAHSTVHAHUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c1-8(10)5-7-12-9-4-2-3-6-11-9/h2-4,8,10H,5-7H2,1H3.
What are the key properties of 4-(2H-pyran-6-yloxy)butan-2-ol?
4-(2H-pyran-6-yloxy)butan-2-ol has a molecular weight of 170.21 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2H-pyran-6-yloxy)butan-2-ol is sourced from PubChem (CID 57029825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).